CHEBI:133054 - [Hyp3]-bradykinin(2+)

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ChEBI Name [Hyp3]-bradykinin(2+)
ChEBI ID CHEBI:133054
ChEBI ASCII Name [Hyp(3)]-bradykinin(2+)
Definition A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of [Hyp3]-bradykinin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C50H75N15O12
Net Charge +2
Average Mass 1078.226
Monoisotopic Mass 1077.57087
InChI InChI=1S/C50H73N15O12/c51-32(15-7-19-56-49(52)53)45(73)64-22-10-18-38(64)47(75)65-27-31(67)25-39(65)43(71)58-26-40(68)59-34(23-29-11-3-1-4-12-29)41(69)62-36(28-66)46(74)63-21-9-17-37(63)44(72)61-35(24-30-13-5-2-6-14-30)42(70)60-33(48(76)77)16-8-20-57-50(54)55/h1-6,11-14,31-39,66-67H,7-10,15-28,51H2,(H,58,71)(H,59,68)(H,60,70)(H,61,72)(H,62,69)(H,76,77)(H4,52,53,56)(H4,54,55,57)/p+2/t31-,32+,33+,34+,35+,36+,37+,38+,39+/m1/s1
InChIKey JXRLHZCEMXTCBN-DIBGMJQNSA-P
SMILES C(=[NH2+])(NCCC[C@@H](C(=O)N1[C@H](C(N2[C@H](C(=O)NCC(N[C@H](C(N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(N[C@H](C([O-])=O)CCCNC(=[NH2+])N)=O)CC=4C=CC=CC4)CCC3)CO)=O)CC=5C=CC=CC5)=O)C[C@H](C2)O)=O)CCC1)[NH3+])N
Roles Classification
Biological Role(s): bradykinin receptor agonist
An agonist that binds to and activates bradykinin receptors
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [Hyp3]-bradykinin(2+) (CHEBI:133054) has role bradykinin receptor agonist (CHEBI:77495)
[Hyp3]-bradykinin(2+) (CHEBI:133054) has role human urinary metabolite (CHEBI:84087)
[Hyp3]-bradykinin(2+) (CHEBI:133054) is a peptide cation (CHEBI:60194)
[Hyp3]-bradykinin(2+) (CHEBI:133054) is conjugate acid of [Hyp3]-bradykinin (CHEBI:133051)
Incoming [Hyp3]-bradykinin (CHEBI:133051) is conjugate base of [Hyp3]-bradykinin(2+) (CHEBI:133054)
IUPAC Name
1-[(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoyl]-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-N-[(1S)-4-{[azaniumyl(imino)methyl]amino}-1-carboxylatobutyl]-L-phenylalaninamide
Synonyms Sources
Arg-Pro-Hyp-Gly-Phe-Ser-Pro-Phe-Arg(2+) ChEBI
bradykinin, hydroxy-pro(3) ChEBI
L-Arg-L-Pro-L-Hyp-Gly-L-Phe-L-Ser-L-Pro-L-Phe-L-Arg(2+) ChEBI
Last Modified
17 August 2016